2-[(6-amino-1,3-benzoxazol-2-yl)sulfonyl]-N,N-dimethylacetamide

C11H13N3O4S — CID 61369532

IUPAC2-[(6-amino-1,3-benzoxazol-2-yl)sulfonyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CS(=O)(=O)c1nc2ccc(N)cc2o1
InChIInChI=1S/C11H13N3O4S/c1-14(2)10(15)6-19(16,17)11-13-8-4-3-7(12)5-9(8)18-11/h3-5H,6,12H2,1-2H3
InChIKeyPUJVQUMBXCJSEE-UHFFFAOYSA-N
MW283.31 g/mol
LogP0.27
Rot. Bonds3

About 2-[(6-amino-1,3-benzoxazol-2-yl)sulfonyl]-N,N-dimethylacetamide

2-[(6-amino-1,3-benzoxazol-2-yl)sulfonyl]-N,N-dimethylacetamide (PubChem CID 61369532) has the molecular formula C11H13N3O4S and a molecular weight of 283.31 g/mol. Its IUPAC name is 2-[(6-amino-1,3-benzoxazol-2-yl)sulfonyl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(6-amino-1,3-benzoxazol-2-yl)sulfonyl]-N,N-dimethylacetamide
PubChem CID61369532
Molecular FormulaC11H13N3O4S
Molecular Weight283.31 g/mol
Exact Mass283.06
IUPAC Name2-[(6-amino-1,3-benzoxazol-2-yl)sulfonyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CS(=O)(=O)c1nc2ccc(N)cc2o1
InChIInChI=1S/C11H13N3O4S/c1-14(2)10(15)6-19(16,17)11-13-8-4-3-7(12)5-9(8)18-11/h3-5H,6,12H2,1-2H3
InChIKeyPUJVQUMBXCJSEE-UHFFFAOYSA-N
XLogP0.27
TPSA106.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(6-amino-1,3-benzoxazol-2-yl)sulfonyl]-N-methyl-N-propan-2-ylacetamide
CID 61367241
2-[(6-amino-1,3-benzoxazol-2-yl)sulfonyl]acetamide
CID 61369143
2-[(5-amino-1,3-benzoxazol-2-yl)sulfonyl]-N,N-diethylacetamide
CID 61368399
2-[(6-amino-1,3-benzoxazol-2-yl)sulfonyl]-N-(cyclopropylmethyl)acetamide
CID 61367431
2-(2-propylsulfonylethylsulfonyl)-1,3-benzoxazol-6-amine
CID 106728932
2-(2-phenylethylsulfonyl)-1,3-benzoxazol-6-amine
CID 61369531
2-[(5-methyl-3-pyridinyl)methylsulfonyl]-1,3-benzoxazol-6-amine
CID 102878453
2-pentan-2-ylsulfonyl-1,3-benzoxazol-6-amine
CID 114012818
2-(pyridin-3-ylmethylsulfonyl)-1,3-benzoxazol-6-amine
CID 61367044
2-(2-methylsulfonylethylsulfonyl)-1,3-benzoxazol-5-amine
CID 61369152
2-N-methyl-2-N-(2-methylsulfonylethyl)-1,3-benzoxazole-2,6-diamine
CID 79892602
2-(3-methylsulfonylpropylsulfonyl)-1,3-benzoxazol-5-amine
CID 63195632

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-1,3-benzoxazol-2-yl)sulfonyl]-N,N-dimethylacetamide?
The IUPAC name of 2-[(6-amino-1,3-benzoxazol-2-yl)sulfonyl]-N,N-dimethylacetamide (CID 61369532) is 2-[(6-amino-1,3-benzoxazol-2-yl)sulfonyl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(6-amino-1,3-benzoxazol-2-yl)sulfonyl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(6-amino-1,3-benzoxazol-2-yl)sulfonyl]-N,N-dimethylacetamide is CN(C)C(=O)CS(=O)(=O)c1nc2ccc(N)cc2o1.
What is the InChIKey of 2-[(6-amino-1,3-benzoxazol-2-yl)sulfonyl]-N,N-dimethylacetamide?
The InChIKey is PUJVQUMBXCJSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4S/c1-14(2)10(15)6-19(16,17)11-13-8-4-3-7(12)5-9(8)18-11/h3-5H,6,12H2,1-2H3.
What are the key properties of 2-[(6-amino-1,3-benzoxazol-2-yl)sulfonyl]-N,N-dimethylacetamide?
2-[(6-amino-1,3-benzoxazol-2-yl)sulfonyl]-N,N-dimethylacetamide has a molecular weight of 283.31 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-1,3-benzoxazol-2-yl)sulfonyl]-N,N-dimethylacetamide is sourced from PubChem (CID 61369532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).